2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane

C12H18OS — CID 83929451

IUPAC2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane
SMILESCCc1ccc(CC(C)C2OC2C)s1
InChIInChI=1S/C12H18OS/c1-4-10-5-6-11(14-10)7-8(2)12-9(3)13-12/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeyQVIITHBTBQNVQA-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.28
Rot. Bonds4

About 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane

2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane (PubChem CID 83929451) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane.

Molecular Properties

Compound Name2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane
PubChem CID83929451
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane
SMILESCCc1ccc(CC(C)C2OC2C)s1
InChIInChI=1S/C12H18OS/c1-4-10-5-6-11(14-10)7-8(2)12-9(3)13-12/h5-6,8-9,12H,4,7H2,1-3H3
InChIKeyQVIITHBTBQNVQA-UHFFFAOYSA-N
XLogP3.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-[1-(5-ethylthiophen-2-yl)propan-2-yl]oxirane
CID 83929453
2,5-diethylthiophene
CID 521294
3-ethyl-1-(5-ethylthiophen-2-yl)pentan-2-amine
CID 115842663
N-ethyl-3-[(5-ethylthiophen-2-yl)methyl]pentan-2-amine
CID 60999156
3-cyclopropyl-1-(5-ethylthiophen-2-yl)butan-2-amine
CID 115842635
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
2-(5-ethylthiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65422780
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]furan
CID 166661118
2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414215
2-(5-ethylthiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115842333
2-[1-(5-chloro-2-ethoxyphenyl)propan-2-yl]-3-methyloxirane
CID 83933319
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
CID 83937057

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane?
The IUPAC name of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane (CID 83929451) is 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane.
What is the SMILES notation for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane?
The canonical SMILES for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane is CCc1ccc(CC(C)C2OC2C)s1.
What is the InChIKey of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane?
The InChIKey is QVIITHBTBQNVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-4-10-5-6-11(14-10)7-8(2)12-9(3)13-12/h5-6,8-9,12H,4,7H2,1-3H3.
What are the key properties of 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane?
2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane has a molecular weight of 210.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethylthiophen-2-yl)propan-2-yl]-3-methyloxirane is sourced from PubChem (CID 83929451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).